Research workbench
Structural basis for multidrug recognition and antimicrobial resistance by mtrr, an efflux pump regulator from neisseria gonorrhoeae
Analyse Structural basis for multidrug recognition and antimicrobial resistance by… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OF0
- Type
- protein
- Length
- 783 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator mtrr
- UniProt
- P39897
- Ligands
- PO4
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 79% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator mtrr | protein | 192 | 79% helix, 1% strand | P39897 |
| B | Hth-type transcriptional regulator mtrr | protein | 196 | 79% helix, 1% strand | P39897 |
| C | Hth-type transcriptional regulator mtrr | protein | 201 | 79% helix, 1% strand | P39897 |
| D | Hth-type transcriptional regulator mtrr | protein | 194 | 79% helix, 0% strand | P39897 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 288 | 0.79 | 0.90 | 37 | empty |
| 2 | 302 | 0.79 | 0.89 | 42 | empty |
| 3 | 277 | 0.77 | 0.89 | 31 | empty |
| 4 | 277 | 0.76 | 0.88 | 32 | empty |
| 5 | 114 | 0.48 | 0.80 | 29 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1714 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1646 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 291 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 152 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6OF0 · Structural basis for multidrug recognition and antimicrobial resistance by MTRR, an… · the same entry in another collection · chain D against D, TM-score 1.00
- P39897 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator mtrr (P39897) · a predicted model of the same protein · chain D against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P39897
- Elsewhere: RCSB PDB 6OF0 · PDBe 6OF0 · UniProt P39897
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